Benzaldehyde,4-(2H-tetrazol-5-yl)- supplier

Name
4-(1H-TETRAZOL-5-YL)BENZALDEHYDE
EINECS
CAS No. 74815-22-8
Article Data48
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point 182-184 °C
Formula C₈H₆N₄O
Boiling Point 409 °C at 760 mmHg
Molecular Weight 174.162
Flash Point 203.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzaldehyde,4-(1H-tetrazol-5-yl)- (9CI);4-(1H-1,2,3,4-Tetrazol-5-yl)benzaldehyde;4-(1H-Tetrazol-5-yl)benzaldehyde;
PSA 71.53000
LogP 0.67920

Benzaldehyde,4-(2H-tetrazol-5-yl)- Specification

The Benzaldehyde,4-(2H-tetrazol-5-yl)- is an organic compound with the formula C₈H₆N₄O. The IUPAC name of this chemical is 4-(2H-tetrazol-5-yl)benzaldehyde. With the CAS registry number 74815-22-8, it is also named as 4-(5-Tetrazolyl)-benzaldehyde. The product's categories are Aldehydes; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzaldehyde,4-(2H-tetrazol-5-yl)- are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): -0.48; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.93; (7)ACD/KOC (pH 7.4): 1.63; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 60.67 Å²; (12)Index of Refraction: 1.667; (13)Molar Refractivity: 46.3 cm³; (14)Molar Volume: 124.3 cm³; (15)Polarizability: 18.35×10^-24cm³; (16)Surface Tension: 76.4 dyne/cm; (17)Density: 1.4 g/cm³; (18)Flash Point: 203.2 °C; (19)Enthalpy of Vaporization: 66.11 kJ/mol; (20)Boiling Point: 409 °C at 760 mmHg; (21)Vapour Pressure: 6.71E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(c1nnnn1)cc2
(2)InChI: InChI=1/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
(3)InChIKey: SRGPTCYCHZMFOR-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
(5)Std. InChIKey: SRGPTCYCHZMFOR-UHFFFAOYSA-N

Product Name

4-(1H-TETRAZOL-5-YL)BENZALDEHYDE

Benzaldehyde,4-(2H-tetrazol-5-yl)- Specification

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